SCHEMBL13947148

SCHEMBL13947148

COC(=O)CCC1CN(S(=O)(=O)c2cccc(OC)c2)c2ccc(OC)cc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.62
▸ RORC P51449 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ MEP1B Q16820 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13368569 0.93 HTR6 (0.71) HTR6RORCALDH1A1L3MBTL1POLB
SCHEMBL14468638 0.92 HTR6 (0.58) HTR6RORCALDH1A1CYP3A4
SCHEMBL13964680 0.92 HTR6 (0.58) HTR6RORCALDH1A1KMT2AMEN1
SCHEMBL13964619 0.91 HTR6 (0.62) HTR6ALDH1A1POLBCYP3A4CYP2C9
SCHEMBL13947708 0.87 HTR6 (0.54) HTR6RORCALDH1A1POLBCYP3A4
SCHEMBL14262595 0.87 HTR6 (0.58) HTR6RORCALDH1A1POLBCYP3A4
SCHEMBL13240025 0.87 HTR6 (0.63) HTR6RORCCYP11B1CYP11B2KMT2A
SCHEMBL13368613 0.86 HTR6 (0.59) HTR6RORCALDH1A1CYP11B1CYP11B2
SCHEMBL13239986 0.85 HTR6 (0.56) HTR6ALDH1A1POLBCYP3A4CYP2C9
SCHEMBL13947147 0.85 HTR6 (0.55) HTR6ALDH1A1POLBCYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885RORC 60/4885ALDH1A1 1171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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